| CAS Number | 346729-65-5 |
| Catalog Number | AG01C82X |
| Chemical Name | 4-bromo-1-chloro-2-methanesulfonylbenzene |
| IUPAC Name | 4-bromo-1-chloro-2-methylsulfonylbenzene |
| InChI | InChI=1S/C7H6BrClO2S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4H,1H3 |
| InChI Key | YHAJNZXMJKNKCN-UHFFFAOYSA-N |
| MDL Number | MFCD27949753 |
| Molecular Formula | C7H6BrClO2S |
| Molecular Weight | 269.5433 |
| SMILES | CS(C1=C(Cl)C=CC(Br)=C1)(=O)=O |
| Synonyms | 4-bromo-1-chloro-2-methanesulfonylbenzene,
346729-65-5,
Benzene, 4-bromo-1-chloro-2-(methylsulfonyl)-,
SCHEMBL2925643,
YHAJNZXMJKNKCN-UHFFFAOYSA-N,
5-bromo-2-chloro-methanesulfonyl-benzene,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.896g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.537g/mol |
| Monoisotopic Mass | 267.896g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number